CID 131763334

Tracylglycerol(18:2/20:3n6/18:0)

Structural Information

Molecular Formula
C59H106O5
SMILES
CCCCCCCCCCCCCCCCCCOC[C@H](COC(=O)CCCCCCC/C=C\C/C=C\CCCCC)OC(=O)CCCCCC/C=C\C/C=C\C/C=C\CCCCC
InChI
InChI=1S/C59H106O5/c1-4-7-10-13-16-19-22-25-28-30-32-35-38-41-44-47-50-53-59(61)64-57(55-62-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)56-63-58(60)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h16,18-19,21,25,27-28,31-32,35,57H,4-15,17,20,22-24,26,29-30,33-34,36-56H2,1-3H3/b19-16-,21-18-,28-25-,31-27-,35-32-/t57-/m1/s1
InChIKey
IZNDSTRZBJEYQJ-IVPIFYFESA-N
Compound name
[(2R)-1-[(9Z,12Z)-octadeca-9,12-dienoyl]oxy-3-octadecoxypropan-2-yl] (8Z,11Z,14Z)-icosa-8,11,14-trienoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

894.804 Da
Monoisotopic Mass

22.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 895.81128 325.2
[M+Na]+ 917.79322 325.6
[M+NH4]+ 912.83782 325.8
[M+K]+ 933.76716 329.4
[M-H]- 893.79672 306.5
[M+Na-2H]- 915.77867 318.7
[M]+ 894.80345 321.2
[M]- 894.80455 321.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.